Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
201 |
PET-UNK-7e9559de-1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 |
−8.2
± 0.2
|
6.0
± 0.1
|
202 |
VLA-UNK-3a43cd95-3
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(c(c5)F)Cl |
−8.15
± 0.09
|
5.94
± 0.07
|
203 |
EDJ-MED-d4864bdc-4
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.1
± 0.3
|
5.9
± 0.2
|
204 |
EDJ-MED-8bb691af-6
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.1
± 0.3
|
5.9
± 0.2
|
205 |
PET-UNK-77d5678a-1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 |
−8.0
± 0.1
|
5.9
± 0.1
|
206 |
MAT-POS-576f7758-1
|
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.0
± 0.1
|
5.8
± 0.1
|
207 |
MAT-POS-853c0ffa-15
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.0
± 0.3
|
5.8
± 0.2
|
208 |
LUO-POS-ed2cfb03-2
|
|
CNS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.0
± 0.6
|
5.8
± 0.4
|
209 |
EDJ-MED-fd8ed875-3
|
|
CNC(=O)CN1CC2(C=CN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.0
± 0.1
|
5.82
± 0.08
|
210 |
VLA-UNK-61877630-5
|
|
CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)F)Cl |
−8.0
± 0.1
|
5.80
± 0.09
|
211 |
EDJ-MED-cc48ee33-2
|
|
Cn1c(ccn1)C(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−7.9
± 0.1
|
5.8
± 0.1
|
212 |
EDJ-MED-468565e0-5
|
|
c1cc2cncc(c2cc1OCCN3CC(C3)(F)F)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−7.9
± 0.4
|
5.8
± 0.3
|
213 |
BRU-THA-73c97d88-1
|
|
c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)C=N3 |
−7.92
± 0.07
|
5.77
± 0.05
|
214 |
JOH-MSK-1f2dff76-1
|
|
CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.9
± 0.3
|
5.8
± 0.2
|
215 |
BRU-THA-55eab31a-1
|
|
c1ccc2c(c1)cncc2N3C(=O)C4(CCNc5c4cc(cc5)Cl)C=N3 |
−7.86
± 0.09
|
5.73
± 0.07
|
216 |
ALP-POS-ecbed2ba-7
|
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.9
± 0.2
|
5.7
± 0.1
|
217 |
MAT-POS-853c0ffa-22
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−7.8
± 0.3
|
5.7
± 0.2
|
218 |
PET-UNK-94036022-13
|
|
C=C1C(=O)C2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 |
−7.8
± 0.4
|
5.7
± 0.3
|
219 |
MAT-POS-69786b79-1
|
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.8
± 0.2
|
5.7
± 0.1
|
220 |
BEN-BAS-c2bc0d80-3
|
|
c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)CN3 |
−7.79
± 0.09
|
5.68
± 0.07
|
221 |
JOH-MSK-1f2dff76-2
|
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.8
± 0.3
|
5.6
± 0.2
|
222 |
EDJ-MED-5cd3920d-5
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)F |
−7.7
± 0.3
|
5.6
± 0.2
|
223 |
ALP-POS-ecbed2ba-15
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCCC6)C#N |
−7.7
± 0.4
|
5.6
± 0.3
|
224 |
ALP-POS-4483ae88-2
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl |
−7.6
± 0.2
|
5.6
± 0.1
|
225 |
VLA-UNK-61877630-4
|
|
CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5C1=O)F)Cl |
−7.6
± 0.1
|
5.51
± 0.10
|
226 |
MAT-POS-853c0ffa-7
|
|
COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl |
−7.5
± 0.3
|
5.5
± 0.2
|
227 |
MAT-POS-38eb6498-5
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl |
−7.5
± 0.2
|
5.5
± 0.1
|
228 |
LUO-POS-ed2cfb03-1
|
|
CN1CCN(CC1)S(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.5
± 0.6
|
5.5
± 0.4
|
229 |
PET-UNK-94036022-7
|
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl |
−7.5
± 0.3
|
5.5
± 0.2
|
230 |
VLA-UNK-61877630-10
|
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F |
−7.4
± 0.3
|
5.4
± 0.2
|
231 |
EDJ-MED-b6c6ee2b-1
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl |
−7.4
± 0.4
|
5.4
± 0.3
|
232 |
EDJ-MED-ede5c6cb-1
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.4
± 0.2
|
5.4
± 0.1
|
233 |
VLA-MRT-a639d434-2
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CN(Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O |
−7.4
± 0.2
|
5.4
± 0.2
|
234 |
EDJ-MED-f9b78f78-4
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl |
−7.3
± 0.1
|
5.34
± 0.09
|
235 |
MAT-POS-853c0ffa-5
|
|
c1cc2cncc(c2c(c1)Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.3
± 0.4
|
5.3
± 0.3
|
236 |
LUO-POS-b5068a05-2
|
|
c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)N=C3NC#N |
−7.3
± 0.3
|
5.3
± 0.2
|
237 |
VLA-UNK-f2612802-3
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5S1(=O)=O)F)Cl |
−7.3
± 0.2
|
5.3
± 0.1
|
238 |
EDJ-MED-ede5c6cb-2
|
|
c1cc2c(cc1NS(=O)(=O)C3CC3)cncc2N4CCC5(C4=O)CCS(=O)(=O)c6c5cc(cc6)Cl |
−7.2
± 0.2
|
5.3
± 0.1
|
239 |
ALP-POS-afe0272e-2
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)Cl)Cl |
−7.2
± 0.1
|
5.28
± 0.09
|
240 |
PET-UNK-77d5678a-4
|
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 |
−7.2
± 0.2
|
5.3
± 0.1
|
241 |
VLA-MRT-8c78ee15-3
|
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl |
−7.2
± 0.2
|
5.2
± 0.1
|
242 |
MAT-POS-38eb6498-3
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl |
−7.2
± 0.4
|
5.2
± 0.3
|
243 |
MAT-POS-1bed62cf-3
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.2
± 0.2
|
5.2
± 0.2
|
244 |
ALP-POS-41e2080f-1
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.1
± 0.1
|
5.21
± 0.09
|
245 |
EDJ-MED-b6c6ee2b-2
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OC)Cl |
−7.1
± 0.2
|
5.2
± 0.2
|
246 |
MAT-POS-1d5ab790-1
|
|
c1cc2cncc(c2c(c1)Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.1
± 0.4
|
5.2
± 0.3
|
247 |
MAT-POS-50a80394-7
|
|
CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C |
−7.1
± 0.2
|
5.2
± 0.1
|
248 |
VLA-MRT-8c78ee15-4
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@]4(CN(Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O |
−7.1
± 0.2
|
5.2
± 0.1
|
249 |
EDJ-MED-8bb691af-9
|
|
CNC(=O)CN1CC2(CC(=O)N(C2)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.1
± 0.2
|
5.2
± 0.1
|
250 |
ALP-POS-4483ae88-1
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl |
−7.1
± 0.1
|
5.15
± 0.09
|
251 |
ALP-POS-ecbed2ba-8
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCC6)C#N |
−7.1
± 0.5
|
5.1
± 0.4
|
252 |
EDJ-MED-d4864bdc-3
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.0
± 0.1
|
5.11
± 0.10
|
253 |
MAT-POS-69786b79-2
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−7.0
± 0.2
|
5.1
± 0.2
|
254 |
MAT-POS-c7726e07-5
|
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.0
± 0.2
|
5.1
± 0.1
|
255 |
EDJ-MED-94fddcec-4
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.0
± 0.1
|
5.1
± 0.1
|
256 |
EDJ-MED-8bb691af-5
|
|
c1ccc2c(c1)cncc2N3CC4(CC3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.0
± 0.4
|
5.1
± 0.3
|
257 |
LUO-POS-b4dec3be-1
|
|
CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−7.0
± 0.2
|
5.1
± 0.1
|
258 |
PET-UNK-94036022-6
|
|
C=C1C(=O)[C@]2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 |
−6.9
± 0.4
|
5.0
± 0.3
|
259 |
MAT-POS-50a80394-8
|
|
CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6)C |
−6.9
± 0.5
|
5.0
± 0.3
|
260 |
VLA-UNK-f2612802-2
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5S1(=O)=O)F)Cl |
−6.9
± 0.2
|
5.0
± 0.1
|
261 |
EDJ-MED-94fddcec-7
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−6.9
± 0.2
|
5.0
± 0.1
|
262 |
MAT-POS-853c0ffa-17
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl |
−6.8
± 0.3
|
5.0
± 0.2
|
263 |
LUO-POS-868e8996-11
|
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.8
± 0.2
|
5.0
± 0.1
|
264 |
MAT-POS-b4d6b7fc-7
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl |
−6.8
± 0.2
|
4.9
± 0.2
|
265 |
MAT-POS-69786b79-3
|
|
CC1(CC1)NC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.7
± 0.2
|
4.9
± 0.2
|
266 |
MAT-POS-853c0ffa-18
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl |
−6.7
± 0.3
|
4.9
± 0.2
|
267 |
EDJ-MED-94fddcec-5
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−6.7
± 0.1
|
4.87
± 0.10
|
268 |
EDJ-MED-8bb691af-4
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.7
± 0.2
|
4.9
± 0.1
|
269 |
ALP-POS-ecbed2ba-14
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC#N |
−6.7
± 0.2
|
4.9
± 0.1
|
270 |
EDJ-MED-159244ea-3
|
|
c1ccc2c(c1)cncc2N3C[C@@]4(CCOc5c4cc(cc5)Cl)CC3=O |
−6.6
± 0.1
|
4.84
± 0.08
|
271 |
ALP-POS-afe0272e-1
|
|
CNC(=O)CN1Cc2cc(c(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)Cl |
−6.6
± 0.2
|
4.8
± 0.2
|
272 |
EDJ-MED-5cd3920d-6
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F |
−6.6
± 0.4
|
4.8
± 0.3
|
273 |
LUO-POS-b4dec3be-2
|
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−6.6
± 0.2
|
4.8
± 0.1
|
274 |
LUO-POS-868e8996-12
|
|
CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.5
± 0.2
|
4.7
± 0.2
|
275 |
MAT-POS-b4d6b7fc-5
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−6.4
± 0.2
|
4.7
± 0.1
|
276 |
VLA-MRT-a639d434-1
|
|
CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl |
−6.4
± 0.2
|
4.7
± 0.1
|
277 |
JOH-MSK-51c67e7d-1
|
|
CN1Cc2ccc(cc2[C@@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−6.40
± 0.10
|
4.66
± 0.07
|
278 |
JOH-MSK-51c67e7d-2
|
|
CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−6.4
± 0.1
|
4.7
± 0.1
|
279 |
ALP-POS-ecbed2ba-1
|
|
CC1(CS(=O)(=O)C1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.4
± 0.5
|
4.7
± 0.4
|
280 |
EDJ-MED-d7486dd1-1
|
|
Cc1cc(cc2c1c(cnc2)N3CCC4(C3)CCOc5c4cc(cc5)Cl)S(=O)(=O)C |
−6.4
± 0.2
|
4.6
± 0.1
|
281 |
EDJ-MED-94fddcec-6
|
|
CN(c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl)S(=O)(=O)C |
−6.4
± 0.2
|
4.6
± 0.1
|
282 |
MAT-POS-853c0ffa-8
|
|
COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl |
−6.3
± 0.3
|
4.6
± 0.2
|
283 |
VLA-MRT-a639d434-3
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CNCc5c4cc(cc5)Cl)NC3=O |
−6.3
± 0.2
|
4.6
± 0.1
|
284 |
EDJ-MED-a6bab6fb-1
|
|
Cc1cccc2c1c(cnc2)N3CCC4(C3)CCOc5c4cc(cc5)Cl |
−6.3
± 0.1
|
4.59
± 0.08
|
285 |
EDJ-MED-e78d5f1a-1
|
|
c1cc2cncc(c2c(c1)Cl)N3CCC4(C3)CCOc5c4cc(cc5)Cl |
−6.3
± 0.1
|
4.56
± 0.08
|
286 |
VLA-MRT-8c78ee15-1
|
|
c1ccc2c(c1)cncc2N3C(=O)C4(CNCc5c4cc(cc5)Cl)NC3=O |
−6.2
± 0.2
|
4.5
± 0.1
|
287 |
MAT-POS-69786b79-4
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N |
−6.2
± 0.3
|
4.5
± 0.2
|
288 |
ALP-POS-ecbed2ba-12
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−6.2
± 0.2
|
4.5
± 0.2
|
289 |
EDJ-MED-159244ea-2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl |
−6.2
± 0.1
|
4.49
± 0.08
|
290 |
MAT-POS-1d5ab790-2
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl |
−6.1
± 0.2
|
4.5
± 0.2
|
291 |
EDJ-MED-8bb691af-7
|
|
CNC(=O)CN1CC2(CCN(C2)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−6.1
± 0.1
|
4.5
± 0.1
|
292 |
MAT-POS-983b399a-2
|
|
c1ccc2c(c1)cncc2N3CCC4(C3)CCOc5c4cc(cc5)Cl |
−6.0
± 0.1
|
4.40
± 0.09
|
293 |
MAT-POS-853c0ffa-6
|
|
c1cc2c(cc1Cl)C3(CCN(C3=O)c4cncc5c4c(cc(c5)F)Cl)CN(C2)S(=O)(=O)CC6(CC6)C#N |
−5.9
± 0.3
|
4.3
± 0.2
|
294 |
MAT-POS-c7726e07-6
|
|
CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−5.8
± 0.2
|
4.2
± 0.2
|
295 |
VLA-MRT-8c78ee15-2
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@]4(CNCc5c4cc(cc5)Cl)NC3=O |
−5.7
± 0.2
|
4.2
± 0.1
|
296 |
JOH-MSK-1f2dff76-3
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CNCc5c4cc(cc5)Cl |
−5.6
± 0.2
|
4.1
± 0.1
|
297 |
EDJ-MED-976a33d5-3
|
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
−5.5
± 0.5
|
4.0
± 0.4
|
298 |
JOH-MSK-1f2dff76-4
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CNCc5c4cc(cc5)Cl |
−5.4
± 0.2
|
3.9
± 0.1
|
299 |
EDJ-MED-f3cfbbb5-1
|
|
Cc1cccc2c1c(cnc2)N3CCC4(C3)COCc5c4cc(cc5)Cl |
−5.3
± 0.1
|
3.86
± 0.08
|
300 |
EDJ-MED-8bb691af-3
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CC(=O)N(C3)c4cncc5c4cccc5)Cl |
−5.0
± 0.2
|
3.6
± 0.2
|